aceff_2_run – 1 MCP server offers this tool
What it usually takes
do_relax– in 1 of 1model_choice– in 1 of 1molecule– in 1 of 1net_charge– in 1 of 1relax_fmax– in 1 of 1relax_steps– in 1 of 1show_forces– in 1 of 1
No server marks it as only reading: treat it as able to change data.
From each publisher's own tool list. We never call a tool.
Servers
| Server | Inputs | Read-only? |
|---|---|---|
AceFF-2 ML Potential Explorer co.huggingface.hugging-apps/aceff-2 Run an AceFF-2 single-point calculation (energy + forces) and optional geometry relaxation for one small molecule. Returns: (status markdown, metric items, viewer HTML, relaxed XYZ text) | do_relax,model_choice,molecule,net_charge,relax_fmax,relax_steps,show_forces | Not stated |